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Ceanothenic acid
SpectraBase Compound ID 3x2WbzX1dzC
InChI InChI=1S/C29H42O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h13-14,18-22H,1,7-12,15-16H2,2-6H3,(H,30,31)(H,32,33)/t18-,19+,20-,21+,22+,26-,27+,28-,29+/m0/s1
InChIKey CMDOQXSBVNWCEM-AKDRKZOISA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OMgFp9SeMd
Name CEANOTHENIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h13-14,18-22H,1,7-12,15-16H2,2-6H3,(H,30,31)(H,32,33)/t18-,19+,20-,21+,22+,26-,27+,28-,29+/m0/s1
InChIKey CMDOQXSBVNWCEM-AKDRKZOISA-N
Literature Reference Author D.B.DOMINGUEZ-CARMONA,F.ESCALANTE-EROSA,K.GARCIA-SOSA,G.RUIZ -PINELL
Literature Reference Citation J.BRAZ.CHEM.SOC.,22,1279(2011)
Literature Reference DOI 10.1590/s0103-50532011000700013
Molecular Weight 454.650 g/mol
Source File Reference UWBT5673